N-[3-[(2S)-2-butyl-4-methyl-3-oxopiperazine-1-carbonyl]-4-chlorophenyl]acetamide

C18H24ClN3O3 — CID 95122588

IUPACN-[3-[(2S)-2-butyl-4-methyl-3-oxopiperazine-1-carbonyl]-4-chlorophenyl]acetamide
SMILESCCCC[C@H]1C(=O)N(C)CCN1C(=O)c1cc(NC(C)=O)ccc1Cl
InChIInChI=1S/C18H24ClN3O3/c1-4-5-6-16-18(25)21(3)9-10-22(16)17(24)14-11-13(20-12(2)23)7-8-15(14)19/h7-8,11,16H,4-6,9-10H2,1-3H3,(H,20,23)/t16-/m0/s1
InChIKeyDRDCYOIBBOHYKR-INIZCTEOSA-N
MW365.86 g/mol
LogP2.77
Rot. Bonds5

About N-[3-[(2S)-2-butyl-4-methyl-3-oxopiperazine-1-carbonyl]-4-chlorophenyl]acetamide

N-[3-[(2S)-2-butyl-4-methyl-3-oxopiperazine-1-carbonyl]-4-chlorophenyl]acetamide (PubChem CID 95122588) has the molecular formula C18H24ClN3O3 and a molecular weight of 365.86 g/mol. Its IUPAC name is N-[3-[(2S)-2-butyl-4-methyl-3-oxopiperazine-1-carbonyl]-4-chlorophenyl]acetamide.

Molecular Properties

Compound NameN-[3-[(2S)-2-butyl-4-methyl-3-oxopiperazine-1-carbonyl]-4-chlorophenyl]acetamide
PubChem CID95122588
Molecular FormulaC18H24ClN3O3
Molecular Weight365.86 g/mol
Exact Mass365.15
IUPAC NameN-[3-[(2S)-2-butyl-4-methyl-3-oxopiperazine-1-carbonyl]-4-chlorophenyl]acetamide
SMILESCCCC[C@H]1C(=O)N(C)CCN1C(=O)c1cc(NC(C)=O)ccc1Cl
InChIInChI=1S/C18H24ClN3O3/c1-4-5-6-16-18(25)21(3)9-10-22(16)17(24)14-11-13(20-12(2)23)7-8-15(14)19/h7-8,11,16H,4-6,9-10H2,1-3H3,(H,20,23)/t16-/m0/s1
InChIKeyDRDCYOIBBOHYKR-INIZCTEOSA-N
XLogP2.77
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.86
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(3S)-3-butyl-1-methyl-4-(quinoxaline-6-carbonyl)piperazin-2-one
CID 96571377
5-(2-butyl-4-methyl-3-oxopiperazine-1-carbonyl)-2-methyl-1H-pyrimidin-6-one
CID 72878704
3-butyl-1-methyl-4-(3-pyrimidin-2-ylbenzoyl)piperazin-2-one
CID 118774662
methyl 3-[[(2R)-2-butyl-4-methyl-3-oxopiperazine-1-carbonyl]amino]-4-methoxybenzoate
CID 97436839
2-butyl-N-[(4-methoxyphenyl)methyl]-4-methyl-3-oxopiperazine-1-carboxamide
CID 70737300
2-butyl-N-(5-tert-butyl-1,3,4-thiadiazol-2-yl)-4-methyl-3-oxopiperazine-1-carboxamide
CID 46985100
N-[3-[(2S)-2-butyl-4-methyl-3-oxopiperazin-1-yl]-3-oxopropyl]-4-methylbenzamide
CID 97150580
N-[3-(2,4-dimethyl-3-oxopiperazine-1-carbonyl)phenyl]acetamide
CID 110741190
1-[2-[(2S)-2-butyl-4-methyl-3-oxopiperazin-1-yl]-2-oxoethyl]quinolin-2-one
CID 97282208
1-(5-acetamido-2-chlorobenzoyl)-4-methoxypyrrolidine-2-carboxylic acid
CID 120534505
5-[[butyl(methyl)carbamoyl]amino]-2-chlorobenzoic acid
CID 61186407
N-(5-acetamido-2-chlorophenyl)octanamide
CID 60538690

Frequently Asked Questions

What is the IUPAC name of N-[3-[(2S)-2-butyl-4-methyl-3-oxopiperazine-1-carbonyl]-4-chlorophenyl]acetamide?
The IUPAC name of N-[3-[(2S)-2-butyl-4-methyl-3-oxopiperazine-1-carbonyl]-4-chlorophenyl]acetamide (CID 95122588) is N-[3-[(2S)-2-butyl-4-methyl-3-oxopiperazine-1-carbonyl]-4-chlorophenyl]acetamide.
What is the SMILES notation for N-[3-[(2S)-2-butyl-4-methyl-3-oxopiperazine-1-carbonyl]-4-chlorophenyl]acetamide?
The canonical SMILES for N-[3-[(2S)-2-butyl-4-methyl-3-oxopiperazine-1-carbonyl]-4-chlorophenyl]acetamide is CCCC[C@H]1C(=O)N(C)CCN1C(=O)c1cc(NC(C)=O)ccc1Cl.
What is the InChIKey of N-[3-[(2S)-2-butyl-4-methyl-3-oxopiperazine-1-carbonyl]-4-chlorophenyl]acetamide?
The InChIKey is DRDCYOIBBOHYKR-INIZCTEOSA-N. The full InChI is InChI=1S/C18H24ClN3O3/c1-4-5-6-16-18(25)21(3)9-10-22(16)17(24)14-11-13(20-12(2)23)7-8-15(14)19/h7-8,11,16H,4-6,9-10H2,1-3H3,(H,20,23)/t16-/m0/s1.
What are the key properties of N-[3-[(2S)-2-butyl-4-methyl-3-oxopiperazine-1-carbonyl]-4-chlorophenyl]acetamide?
N-[3-[(2S)-2-butyl-4-methyl-3-oxopiperazine-1-carbonyl]-4-chlorophenyl]acetamide has a molecular weight of 365.86 g/mol, XLogP of 2.77, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[(2S)-2-butyl-4-methyl-3-oxopiperazine-1-carbonyl]-4-chlorophenyl]acetamide is sourced from PubChem (CID 95122588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).